SCHEMBL7167286

SCHEMBL7167286

C=CCc1ccccc1C(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.46
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
MMP16 P51512 1/20 0.43
ADRA2C P18825 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
CYP2C19 P33261 1/20 0.41
CXCL8 P10145 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
PTGS1 P23219 2/20 0.39
ADRB2 P07550 3/20 0.39
ADRB1 P08588 3/20 0.39
LMNA P02545 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29098859 0.87 ADRA2C (0.41) PTGS2ADRA2CADRA2AADRA2BCYP2C19
SCHEMBL5683696 0.86 PTGS2 (0.46) PTGS2MMP1MMP2MMP9MMP8
SCHEMBL20921258 0.83 ADRA2C (0.43) PTGS2ADRA2CADRA2AADRA2BPTGS1
Hydrogen Peroxide SCHEMBL27481344 0.82 ADRA2C (0.47) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL11066693 0.82 PTGS2 (0.42) PTGS2MMP1MMP2MMP9MMP8
SCHEMBL7691515 0.81 LMNA (0.42) ADRA2CADRA2AADRA2BCYP2C19GABRA1
SCHEMBL9748533 0.81 CYP2C19 (0.46) PTGS2ADRA2CADRA2AADRA2BCYP2C19
SCHEMBL5983552 0.80 PTGS2 (0.46) PTGS2MMP1MMP2MMP9MMP8
SCHEMBL30222272 0.80 PTGS2 (0.46) PTGS2MMP1MMP2MMP9MMP8
SCHEMBL5112475 0.80 PTGS2 (0.46) PTGS2MMP1MMP2MMP9MMP8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441979-B1 OPTICALLY ACTIVE 2-(ALKYL-SUBSTITUTED PHENYL)-PROPIONIC ACID DERIVATIVE AND OPTICAL RESOLUTION OF ( )-1-METHYL-3-PHENYLPROPYLAMINE DAICEL CHEM (JP) 1996-01-31 EP claimed
EP-0441979-A1 OPTICALLY ACTIVE 2-(ALKYL-SUBSTITUTED PHENYL)-PROPIONIC ACID DERIVATIVE AND OPTICAL RESOLUTION OF ( )-1-METHYL-3-PHENYLPROPYLAMINE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-21 EP claimed
EP-0240665-B1 PROCESS FOR REFINING 2-(ARYL SUBSTITUTED) PROPIONIC ACID OR ITS SALTS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-05-29 EP claimed
EP-0232863-B1 PROCESS FOR PRODUCING AN (ARYL SUBSTITUTED) CARBOXYLIC ACID OR ITS SALT NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-09-26 EP claimed
US-4814494-A OXIDATION, HYDROGENATION NIPPON PETROCHEMICALS COMPANY, LTD. (JP) 1989-03-21 US claimed
US-4709089-A DEHALOGENATION NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1987-11-24 US claimed
EP-0240665-A1 Process for refining 2-(aryl substituted) propionic acid or its salts NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1987-10-14 EP claimed
EP-0232863-A1 Process for producing an (aryl substituted) carboxylic acid or its salt NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1987-08-19 EP claimed
US-20030143701-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. 2003-07-31 US disclosed
EP-0924194-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-05-14 EP disclosed
US-6528686-B1 Reacting primary amine and ketone functionalized derivatives; catalytically reducing DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-04 US disclosed
EP-0924193-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-02-19 EP disclosed
EP-0939134-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2002-09-11 EP disclosed
US-6114582-A DECYCLIZATION TO FORM A CHEMICAL INTERMEDIATE FOR PRODUCING AN ANTI-OBESITY AGENT AND ANTIDIABETIC AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-05 US disclosed
EP-0924194-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 US disclosed
EP-0441979-B1 OPTICALLY ACTIVE 2-(ALKYL-SUBSTITUTED PHENYL)-PROPIONIC ACID DERIVATIVE AND OPTICAL RESOLUTION OF ( )-1-METHYL-3-PHENYLPROPYLAMINE DAICEL CHEM (JP) 1996-01-31 EP disclosed
EP-0654534-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-24 EP disclosed
EP-0441979-A1 OPTICALLY ACTIVE 2-(ALKYL-SUBSTITUTED PHENYL)-PROPIONIC ACID DERIVATIVE AND OPTICAL RESOLUTION OF ( )-1-METHYL-3-PHENYLPROPYLAMINE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-21 EP disclosed